UCSF

ZINC00757130

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2005 17 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.31 1.63 -42.33 1 2 1 17 227.331 5
Lo Low (pH 4.5-6) 2.31 1.74 -103.18 2 2 2 18 228.339 5

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )